1-[(3,4-dimethoxyphenyl)-(2,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(3,4-dimethoxyphenyl)-(2,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3,4-dimethoxyphenyl)-(2,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3,4-dimethoxyphenyl)-(2,4,5-trimethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-dimethoxyphenyl)-(2,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[asaryl-(3,4-dimethoxyphenyl)methyl]nipecotic acid Formula: C24H31NO7 MolecularWeight: 445.50544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=CC(=C(C=C2OC)OC)OC)N3CCCC(C3)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=CC(=C(C=C2OC)OC)OC)N3CCCC(C3)C(=O)O)OC

InChI

InChI=1S/C24H31NO7/c1-28-18-9-8-15(11-20(18)30-3)23(25-10-6-7-16(14-25)24(26)27)17-12-21(31-4)22(32-5)13-19(17)29-2/h8-9,11-13,16,23H,6-7,10,14H2,1-5H3,(H,26,27)